1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine

C16H20N4O2 — CID 119119816

IUPAC1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
SMILESN/C(=N\CCN1C(=O)c2ccccc2C1=O)NC1CCCC1
InChIInChI=1S/C16H20N4O2/c17-16(19-11-5-1-2-6-11)18-9-10-20-14(21)12-7-3-4-8-13(12)15(20)22/h3-4,7-8,11H,1-2,5-6,9-10H2,(H3,17,18,19)
InChIKeyOIMHCEOVQCDLNU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.13
Rot. Bonds4

About 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine

1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine (PubChem CID 119119816) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
PubChem CID119119816
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine
SMILESN/C(=N\CCN1C(=O)c2ccccc2C1=O)NC1CCCC1
InChIInChI=1S/C16H20N4O2/c17-16(19-11-5-1-2-6-11)18-9-10-20-14(21)12-7-3-4-8-13(12)15(20)22/h3-4,7-8,11H,1-2,5-6,9-10H2,(H3,17,18,19)
InChIKeyOIMHCEOVQCDLNU-UHFFFAOYSA-N
XLogP1.13
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-methylguanidine
CID 110956996
2-[4-(cyclopentylamino)butyl]isoindole-1,3-dione
CID 119156682
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclopentyl-2-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]guanidine
CID 119117469
1-cyclohexyl-2-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111059033
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
1-(2,6-diethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine;hydroiodide
CID 111074902
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-propylguanidine
CID 111810690
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine (CID 119119816) is 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine is N/C(=N\CCN1C(=O)c2ccccc2C1=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine?
The InChIKey is OIMHCEOVQCDLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-16(19-11-5-1-2-6-11)18-9-10-20-14(21)12-7-3-4-8-13(12)15(20)22/h3-4,7-8,11H,1-2,5-6,9-10H2,(H3,17,18,19).
What are the key properties of 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine?
1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine has a molecular weight of 300.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]guanidine is sourced from PubChem (CID 119119816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).